1-[2-(2-chlorophenyl)-4-propan-2-ylcyclohexyl]-N-methylmethanamine

C17H26ClN — CID 81029186

IUPAC1-[2-(2-chlorophenyl)-4-propan-2-ylcyclohexyl]-N-methylmethanamine
SMILESCNCC1CCC(C(C)C)CC1c1ccccc1Cl
InChIInChI=1S/C17H26ClN/c1-12(2)13-8-9-14(11-19-3)16(10-13)15-6-4-5-7-17(15)18/h4-7,12-14,16,19H,8-11H2,1-3H3
InChIKeyIVNCZEFQQJSVNB-UHFFFAOYSA-N
MW279.85 g/mol
LogP4.72
Rot. Bonds4

About 1-[2-(2-chlorophenyl)-4-propan-2-ylcyclohexyl]-N-methylmethanamine

1-[2-(2-chlorophenyl)-4-propan-2-ylcyclohexyl]-N-methylmethanamine (PubChem CID 81029186) has the molecular formula C17H26ClN and a molecular weight of 279.85 g/mol. Its IUPAC name is 1-[2-(2-chlorophenyl)-4-propan-2-ylcyclohexyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(2-chlorophenyl)-4-propan-2-ylcyclohexyl]-N-methylmethanamine
PubChem CID81029186
Molecular FormulaC17H26ClN
Molecular Weight279.85 g/mol
Exact Mass279.18
IUPAC Name1-[2-(2-chlorophenyl)-4-propan-2-ylcyclohexyl]-N-methylmethanamine
SMILESCNCC1CCC(C(C)C)CC1c1ccccc1Cl
InChIInChI=1S/C17H26ClN/c1-12(2)13-8-9-14(11-19-3)16(10-13)15-6-4-5-7-17(15)18/h4-7,12-14,16,19H,8-11H2,1-3H3
InChIKeyIVNCZEFQQJSVNB-UHFFFAOYSA-N
XLogP4.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.85
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenyl)-4-propan-2-ylcyclohexyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(2-chlorophenyl)-4-propan-2-ylcyclohexyl]-N-methylmethanamine (CID 81029186) is 1-[2-(2-chlorophenyl)-4-propan-2-ylcyclohexyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(2-chlorophenyl)-4-propan-2-ylcyclohexyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(2-chlorophenyl)-4-propan-2-ylcyclohexyl]-N-methylmethanamine is CNCC1CCC(C(C)C)CC1c1ccccc1Cl.
What is the InChIKey of 1-[2-(2-chlorophenyl)-4-propan-2-ylcyclohexyl]-N-methylmethanamine?
The InChIKey is IVNCZEFQQJSVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN/c1-12(2)13-8-9-14(11-19-3)16(10-13)15-6-4-5-7-17(15)18/h4-7,12-14,16,19H,8-11H2,1-3H3.
What are the key properties of 1-[2-(2-chlorophenyl)-4-propan-2-ylcyclohexyl]-N-methylmethanamine?
1-[2-(2-chlorophenyl)-4-propan-2-ylcyclohexyl]-N-methylmethanamine has a molecular weight of 279.85 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenyl)-4-propan-2-ylcyclohexyl]-N-methylmethanamine is sourced from PubChem (CID 81029186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).